4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid
TL;DR: 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid (CAS 6639-25-4) is a chemical compound with molecular formula C14H13N7O2 and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid
Also Known As: 4-Pmab, Aminopteroic acid, 4-Aminodeoxopteroic Acid, 4-Amino-4-deoxypteroic acid, 4-Amino-4-deoxopteroic Acid
| Molecular Formula | C14H13N7O2 |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.11307 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 6639-25-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
| InChIKey | OSYSFOFKQDNPGP-UHFFFAOYSA-N |
Product Overview
4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid (CAS 6639-25-4), with molecular formula C14H13N7O2 and molecular weight 311.11 g/mol. IUPAC: 4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid.
Chemical Property Profile of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid
Property Insights of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid. The TPSA of 153.0 Ų indicates high polarity, suggesting 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid?
The CAS number of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid is 6639-25-4.
What is the molecular formula of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid?
The molecular formula of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid is C14H13N7O2.
What is the molecular weight of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid?
The molecular weight of 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid is 311.11 g/mol.
Where can I buy 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid?
You can request a quote for 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.